Cas no 72078-45-6 (1H-Pyrrole-2-carboxaldehyde, 5-(2-thienyl)-)

1H-Pyrrole-2-carboxaldehyde, 5-(2-thienyl)-, is a heterocyclic aldehyde compound featuring a pyrrole core substituted with a thienyl group at the 5-position and a formyl group at the 2-position. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for constructing complex heterocyclic frameworks. Its dual functionality allows for versatile applications in pharmaceuticals, agrochemicals, and materials science. The compound’s electron-rich aromatic systems enhance its utility in cross-coupling reactions and as a precursor for functionalized polymers or ligands. High purity and well-defined reactivity ensure consistent performance in research and industrial applications. Proper handling under inert conditions is recommended due to its sensitivity.

1H-Pyrrole-2-carboxaldehyde, 5-(2-thienyl)- structure

72078-45-6 structure

Product Name:1H-Pyrrole-2-carboxaldehyde, 5-(2-thienyl)-

CAS No:72078-45-6

MF:C₉H₇NOS

MW:177.222980737686

CID:544569

PubChem ID:1201026

Update Time:2025-06-29

1H-Pyrrole-2-carboxaldehyde, 5-(2-thienyl)- Chemical and Physical Properties

Names and Identifiers

- 1H-Pyrrole-2-carboxaldehyde, 5-(2-thienyl)-
- 5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde
- CS-0250237
- Z1198155318
- 2-formyl-5-(2-thienyl)pyrrole
- 5-(THIOPHEN-2-YL)-1H-PYRROLE-2-CARBALDEHYDE
- EN300-5020699
- SCHEMBL2958085
- AT38943
- AKOS002665544
- 5-thien-2-yl-1H-pyrrole-2-carbaldehyde
- 72078-45-6
- DTXSID40360872
- Inchi： 1S/C9H7NOS/c11-6-7-3-4-8(10-7)9-2-1-5-12-9/h1-6,10H
- InChI Key： KXJJSRMUFORMAT-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C1=CC=C(C=O)N1

Computed Properties

Exact Mass: 177.02491
Monoisotopic Mass: 177.02483502g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 12
Rotatable Bond Count: 2
Complexity: 174
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.9
Topological Polar Surface Area: 61.1?2

Experimental Properties

PSA: 32.86

1H-Pyrrole-2-carboxaldehyde, 5-(2-thienyl)- Pricemore >>

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